Efficient synthesis of an aldehyde‐capped polythiophene containing fluorinated electron‐withdrawing groups

To incorporate an acceptor type polythiophene segment onto a supramolecular block copolymer for potential light harvesting applications, effective synthetic routes for the end‐functionalized and acceptor‐substituted polythiophenes are critical. The Ullmann coupling reaction can be utilized to obtain electron‐deficient polythiophenes and to attach terminal thiophene units that carry functional groups. In this article, the reactions involving a 2,5‐dibromothiophene monomer containing an electron‐withdrawing fluorinated ester and 5‐bromo‐2‐thiophenecarboxaldehyde (the end‐capper) were studied in detail. It was found that the Ullmann coupling reaction of the dibromide is very fast (completed in a few minutes) and the terminal bromine group does not survive long under the reaction condition. These findings lead to the development of an effective procedure for aldehyde end‐capping of electron‐deficient polythiophenes. Polymers with molecular weights around 4000 Da are routinely obtained. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 41–47, 2007     

Bubble point pressure estimates from Gibbs ensemble simulations

Bubble pressure points of ethanol–1,1,1,2,3,3,3-heptafluoropropane (HFC-227ea refrigerant) mixtures from the third Industrial Fluid Properties Simulation Challenge are computed using publicly available molecular simulation software. Several published force fields are compared against the known answers provided in the contest guidelines and the best force fields are used to make predictions for the unknown results.     

Periodic solutions for a Lotka–Volterra mutualism system with several delays

In the present paper, a Lotka–Volterra type mutualism system with several delays is studied. Some new and interesting sufficient conditions are obtained for the global existence of positive periodic solutions of the mutualism system. Our method is based on Mawhin’s coincidence degree and novel estimation techniques for the a priori bounds of unknown solutions. Our results are different from the existing ones such as those in of Yang et al. [F. Yang, D. Jiang, A. Ying, Existence of positive solution of multidelays facultative mutualism system, J. Eng. Math. 3 (2002) 64–68] and Chen et al. [F. Chen, J. Shi, X. Chen, Periodicity in a Lotka–Volterra facultative mutualism system with several delays, J. Eng. Math. 21 (3) (2004) 403–409].     

Determination of ultra-trace gold in natural water by graphite furnace atomic absorption spectrophotometry after in situ enrichment with thiol cotton fiber

A simple method of determining ultra-trace Au in natural water was presented by using graphite furnace atomic absorption spectrophotometry (GFAAS) after in situ enrichment with thiol cotton fiber (TCF). The sample solution was adjusted to pH 1.5-2.0 with HCl, then the water sample was passed through a column packed with 0.10-0.20 g TCF and the flow rate was controlled at 20-40 ml min⁻¹. The effects of interferences, such as complexing and oxidizing agents and other elements adsorbed on TCF were overcome by chemical treatments prior to the desorption of Au. The adsorbed Au was adsorbed with 2.0 ml hot acid, then it was extracted with 1.00 ml methyl isobutylketone (MIBK). For a 5 l water sample, the detection limit of Au is 0.02 ng l⁻¹. The relative standard deviation (R.S.D.) for the determination of 1.44 ng l⁻¹ Au was 9.4%.The method was applied to determine ultra-trace Au both in suspended phase and soluble phase in natural water, the concentrations of total Au in natural water samples range from 0.51 to 67.82 ng l⁻¹. The recovery of added 0.50-6.00 ng l⁻¹ Au was 80-95%. The method is useful in prospecting for Au deposits by means of hydrogeochemical methods. The enrichment is carried out in the field, and then the determination of Au is completed later in the laboratory.     

D-N交替法与Schwartz交替法的收敛关系分析

This paper has demonstrated that the Schwartz alternating process must converge if D-N alternating process has converged. Its technique is that the overlapping regions in Schwartz alternating process are considered as independent domains, then Schwartz alternating process could be transformed into D-N alter-nating process. Finally the convergence estimation of Schwartz alternating process could be obtained. The results show that its convergence rate is same as that of D-N alternating process.     

Ab-initio molecular dynamics simulation on nano-system under external pressure

A new constant-pressure molecular dynamics (MD) method is developed to simulate the dynamic behavior and structure transition of finite system under external pressure. In this method, no artificial parameter is introduced and the computation overheads are very small. As an application, a hard-soft transition of single wall carbon nanotube (SWCNT) under external pressure is found, which is in agreement with the experiments.

     

神光Ⅱ上柱形黑腔辐射驱动冲击波

利用神光Ⅱ的八路三倍频激光装置，驱动柱形黑腔产生的x 射线作辐射源驱动台阶铝样品产生冲击波，获得了清晰的冲击波图像，通过冲击波过台阶样 品的时间差获得冲击波速度和压力分别为31.2km/s和17.5×10⁵MPa.采用软x射线能谱 仪通过激光注入孔测量的辐射温度与采用冲击波法测量辐射温度的结果一致. 关键词： 冲击波 辐射驱动 辐射温度